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Hi,<br>
an easy task:<br>
generate n pdb files each 10 frames.<br>
<br>
Regards<br>
<br>
andrea<br>
<br>
Berk Hess wrote:
<blockquote cite="midBAY110-F89A02BD3348D846B801528E3B0@phx.gbl"
type="cite"><br>
<br>
<br>
<blockquote type="cite">From: andrea spitaleri
<a class="moz-txt-link-rfc2396E" href="mailto:spitaleri.andrea@hsr.it"><spitaleri.andrea@hsr.it></a>
<br>
Reply-To: Discussion list for GROMACS users
<a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a>
<br>
To: Discussion list for GROMACS users <a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a>
<br>
Subject: Re: [gmx-users] trjconv -split gives null_0_null files ...
<br>
Date: Thu, 15 Dec 2005 09:51:05 +0100
<br>
<br>
Hi,
<br>
yes if I use -sep I get pdb for each frame. So, I guess, if I want one
frame each, let' say, 10 ps, I can use -skip 10 option along with -sep
since -split optiont is broken. Am I right?
<br>
</blockquote>
<br>
Indeed.
<br>
Or -sep -dt 10
<br>
<br>
But I don't understand what you really want.
<br>
Do you want one or multiple frames in each pdb file?
<br>
<br>
For one frame you should always use -sep, not -split.
<br>
<br>
I have fixed the -sep bug for the 3.3.1 release.
<br>
<br>
Berk.
<br>
<br>
<br>
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</blockquote>
<br>
<div class="moz-signature">-- <br>
-------------------------------<br>
Andrea Spitaleri <br>
Dulbecco Telethon Institute<br>
c/o DIBIT Scientific Institute<br>
Biomolecular NMR, 1B4<br>
Via Olgettina 58<br>
20132 Milano (Italy)<br>
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